Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0J5VK
|
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| Former ID |
DNC006777
|
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| Drug Name |
NSC-622445
|
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C15H12O6
|
||||
| Canonical SMILES |
C1=CC(=C(C=C1CC2=CC(=C(C=C2)O)C(=O)O)C(=O)O)O
|
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| InChI |
1S/C15H12O6/c16-12-3-1-8(6-10(12)14(18)19)5-9-2-4-13(17)11(7-9)15(20)21/h1-4,6-7,16-17H,5H2,(H,18,19)(H,20,21)
|
||||
| InChIKey |
JWQFKVGACKJIAV-UHFFFAOYSA-N
|
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Lethal factor | Target Info | Inhibitor | [2] | |
| DNA (cytosine-5)-methyltransferase | Target Info | Inhibitor | [1] | ||
| DNA (cytosine-5)-methyltransferase 3B | Target Info | Inhibitor | [1] | ||
| KEGG Pathway | Cysteine and methionine metabolism | ||||
| Metabolic pathways | |||||
| MicroRNAs in cancer | |||||
| Pathway Interaction Database | Cellular roles of Anthrax toxin | ||||
| Reactome | Uptake and function of anthrax toxinsR-HSA-212300:PRC2 methylates histones and DNA | ||||
| NoRC negatively regulates rRNA expression | |||||
| DNA methylation | |||||
| WikiPathways | Mesodermal Commitment Pathway | ||||
| Endoderm Differentiation | |||||
| Trans-sulfuration and one carbon metabolism | |||||
| One Carbon Metabolism | |||||
| miR-targeted genes in lymphocytes - TarBase | |||||
| References | |||||
| REF 1 | Bioorg Med Chem. 2010 Jan 15;18(2):822-9. Epub 2009 Nov 27.Novel and selective DNA methyltransferase inhibitors: Docking-based virtual screening and experimental evaluation. | ||||
| REF 2 | J Med Chem. 2006 Aug 24;49(17):5232-44.Novel small-molecule inhibitors of anthrax lethal factor identified by high-throughput screening. | ||||
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